N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide

C19H25N3O3S — CID 1489917

IUPACN',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)C(C)(C)C)c1S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-13-12-15(14-10-8-7-9-11-14)20-17(16(13)26(6,24)25)22(5)21-18(23)19(2,3)4/h7-12H,1-6H3,(H,21,23)
InChIKeyBNWPELOTHLDVSS-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.97
Rot. Bonds4

About N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide

N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide (PubChem CID 1489917) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide
PubChem CID1489917
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)C(C)(C)C)c1S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-13-12-15(14-10-8-7-9-11-14)20-17(16(13)26(6,24)25)22(5)21-18(23)19(2,3)4/h7-12H,1-6H3,(H,21,23)
InChIKeyBNWPELOTHLDVSS-UHFFFAOYSA-N
XLogP2.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide?
The IUPAC name of N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide (CID 1489917) is N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide.
What is the SMILES notation for N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide?
The canonical SMILES for N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide is Cc1cc(-c2ccccc2)nc(N(C)NC(=O)C(C)(C)C)c1S(C)(=O)=O.
What is the InChIKey of N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide?
The InChIKey is BNWPELOTHLDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-12-15(14-10-8-7-9-11-14)20-17(16(13)26(6,24)25)22(5)21-18(23)19(2,3)4/h7-12H,1-6H3,(H,21,23).
What are the key properties of N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide?
N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide has a molecular weight of 375.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)propanehydrazide is sourced from PubChem (CID 1489917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).